Ti2Tl2CuTe6
Alexandria ALEXAlex-ID: agm004580296 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_25_spg12
TiTe5 TiTlCuTe3 TiTe2 Tl2Te
2022-06-25 03:52:24.811498
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004580296).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm004580296
data_agm004580296
_cell_length_a 7.10266
_cell_length_b 7.10266
_cell_length_c 8.44041
_cell_angle_alpha 98.64682
_cell_angle_beta 98.64682
_cell_angle_gamma 123.11965
_cell_volume 338.38475
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti1 Ti 0.31682 0.68318 0.50000 1.00000
Ti2 Ti 0.68318 0.31682 0.50000 1.00000
Tl1 Tl 0.84655 0.15345 0.00000 1.00000
Tl2 Tl 0.15345 0.84655 0.00000 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.73442 0.73442 0.66856 1.00000
Te2 Te 0.08434 0.42145 0.70613 1.00000
Te3 Te 0.26558 0.26558 0.33144 1.00000
Te4 Te 0.42145 0.08434 0.70613 1.00000
Te5 Te 0.91566 0.57855 0.29387 1.00000
Te6 Te 0.57855 0.91566 0.29387 1.00000
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